{2-[(Isoquinolin-8-yl)amino]-2-oxoethoxy}acetic acid
Basic information
- CAS
1506319-64-7- Standard SMILES
O=C(O)COCC(=O)Nc1cccc2ccncc12- InChIKey
QENMZVLLPROQPM-UHFFFAOYSA-N- Molecular formula
- C13H12N2O4
- Average molar mass
- 260.24 g/mol
- Monoisotopic mass
- 260.07970687
Names & identifiers
- Preferred name
- {2-[(Isoquinolin-8-yl)amino]-2-oxoethoxy}acetic acid
- IUPAC
- 2-[2-(isoquinolin-8-ylamino)-2-oxoethoxy]acetic acid
Names & synonyms
DTXSID701208729AKOS018995029{2-[(Isoquinolin-8-yl)amino]-2-oxoethoxy}acetic acidAcetic acid, 2-[2-(8-isoquinolinylamino)-2-oxoethoxy]-1506319-64-7
Database identifiers
- CAS
1506319-64-7- PubChem CID
- 80431699
- DTXSID
DTXSID701208729
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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